Task 38647331

Name test_228-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7503_0
Workunit 31592065
Created 23 Oct 2026, 20:05:51 UTC
Sent 23 Oct 2026, 20:10:14 UTC
Report deadline 28 Oct 2026, 20:10:14 UTC
Received 23 Oct 2026, 23:47:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 600399
Run time 2 hours 50 min 28 sec
CPU time 37 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.57 MB
Peak swap size 12.90 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:57:29 (129608): wrapper (7.9.26016): starting
22:57:29 (129608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
22:57:32 (129608): Library/usr/bin/tar.exe exited; CPU time 0.125000
22:57:32 (129608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\BOINC\slots\32\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\BOINC\slots\32\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
01:47:07 (129608): C:/Windows/system32/cmd.exe exited; CPU time 2260.734375
01:47:07 (129608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 278835045 bytes.
Dumping objects ->
{3835294} normal block at 0x000001C34FEF6BA0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835283} normal block at 0x000001C34FEF52F0, 32 bytes long.
 Data: <HOME=C:\BOINC\sl> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835272} normal block at 0x000001C34FEF55F0, 32 bytes long.
 Data: <TMP=C:\BOINC\slo> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835261} normal block at 0x000001C34FEF5170, 32 bytes long.
 Data: <TEMP=C:\BOINC\sl> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835250} normal block at 0x000001C34FEF5770, 32 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835219} normal block at 0x000001C34E1F40D0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835208} normal block at 0x000001C34E24C820, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835205} normal block at 0x000001C34E1ECDB0, 8 bytes long.
 Data: <   N&#195;   > 00 00 16 4E C3 01 00 00 
{3834577} normal block at 0x000001C34E24CD00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001C34E1EC590, 8 bytes long.
 Data: <&#208; &#222;O&#195;   > D0 10 DE 4F C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C34E1F00E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C34E1E7020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001C34E1F5540, 16 bytes long.
 Data: < K N&#195;           > 88 4B 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C34E1F5590, 16 bytes long.
 Data: <`K N&#195;           > 60 4B 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C34E1EE9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001C34E1F4DC0, 16 bytes long.
 Data: <8K N&#195;           > 38 4B 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C34E1F4EB0, 16 bytes long.
 Data: < K N&#195;           > 10 4B 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C34E1F5130, 16 bytes long.
 Data: <&#232;J N&#195;           > E8 4A 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C34E1F5BD0, 16 bytes long.
 Data: <&#192;J N&#195;           > C0 4A 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C34E1F3DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001C34E1F5220, 16 bytes long.
 Data: <hD N&#195;           > 68 44 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C34E1EE0D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001C34E1F4D70, 16 bytes long.
 Data: <@D N&#195;           > 40 44 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C34E1F5090, 16 bytes long.
 Data: < D N&#195;           > 18 44 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C34E1F5C20, 16 bytes long.
 Data: <&#240;C N&#195;           > F0 43 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C34E1F5810, 16 bytes long.
 Data: <&#200;C N&#195;           > C8 43 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C34E1F5B30, 16 bytes long.
 Data: <&#160;C N&#195;           > A0 43 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C34E1F4D20, 16 bytes long.
 Data: <xC N&#195;           > 78 43 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C34E1EE5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001C34E1F4CD0, 16 bytes long.
 Data: <PC N&#195;           > 50 43 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C34E1F4350, 320 bytes long.
 Data: <&#208;L N&#195;   &#176;&#229; N&#195;   > D0 4C 1F 4E C3 01 00 00 B0 E5 1E 4E C3 01 00 00 
{277} normal block at 0x000001C34E1F4E10, 16 bytes long.
 Data: <&#160;J N&#195;           > A0 4A 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C34E1F5AE0, 16 bytes long.
 Data: <xJ N&#195;           > 78 4A 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C34E1EDE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001C34E1F5400, 16 bytes long.
 Data: <PJ N&#195;           > 50 4A 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C34E1EE7F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001C34E1F5360, 16 bytes long.
 Data: < I N&#195;           > 98 49 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C34E1F4F50, 16 bytes long.
 Data: <pI N&#195;           > 70 49 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C34E1F59A0, 16 bytes long.
 Data: <HI N&#195;           > 48 49 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C34E1F57C0, 16 bytes long.
 Data: < I N&#195;           > 20 49 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C34E1F5450, 16 bytes long.
 Data: <&#248;H N&#195;           > F8 48 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C34E1EC6D0, 16 bytes long.
 Data: <&#208;H N&#195;           > D0 48 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C34E1EC540, 16 bytes long.
 Data: <P= N&#195;           > 50 3D 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C34E1F3D50, 40 bytes long.
 Data: <@&#197; N&#195;   &#208;@ N&#195;   > 40 C5 1E 4E C3 01 00 00 D0 40 1F 4E C3 01 00 00 
{263} normal block at 0x000001C34E1ED080, 16 bytes long.
 Data: <&#176;H N&#195;           > B0 48 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C34E1EC680, 16 bytes long.
 Data: < H N&#195;           > 88 48 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C34E1EDB90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001C34E1EC360, 16 bytes long.
 Data: <`H N&#195;           > 60 48 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C34E1F4860, 992 bytes long.
 Data: <`&#195; N&#195;    &#219; N&#195;   > 60 C3 1E 4E C3 01 00 00 90 DB 1E 4E C3 01 00 00 
{95} normal block at 0x000001C34E1EDDD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001C34E1EC270, 16 bytes long.
 Data: <p< N&#195;           > 70 3C 1F 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C34E1F3C70, 40 bytes long.
 Data: <p&#194; N&#195;   &#208;&#221; N&#195;   > 70 C2 1E 4E C3 01 00 00 D0 DD 1E 4E C3 01 00 00 
{72} normal block at 0x000001C34E1ECAE0, 16 bytes long.
 Data: < &#234;'b&#246;           > 80 EA 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C34E1EC950, 16 bytes long.
 Data: <@&#233;'b&#246;           > 40 E9 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C34E1EC180, 16 bytes long.
 Data: <&#248;W$b&#246;           > F8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C34E1EC3B0, 16 bytes long.
 Data: <&#216;W$b&#246;           > D8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C34E1ECA40, 16 bytes long.
 Data: <P $b&#246;           > 50 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C34E1EC9F0, 16 bytes long.
 Data: <0 $b&#246;           > 30 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C34E1EC220, 16 bytes long.
 Data: <&#224; $b&#246;           > E0 02 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C34E1ECB30, 16 bytes long.
 Data: <  $b&#246;           > 10 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C34E1EC630, 16 bytes long.
 Data: <p $b&#246;           > 70 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C34E1ECA90, 16 bytes long.
 Data: < &#192;"b&#246;           > 18 C0 22 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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